#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b0h s ILE 1838N 0.00 5.07 0.21 -0.61 1.09 -1.26 -4.86 121.20 120.85 2b0h s ILE 1838Ca 0.00 -1.13 0.06 0.00 -1.10 0.00 0.00 60.65 58.48 2b0h s ILE 1838Cb 0.00 -4.32 -0.04 0.00 -1.06 0.00 0.00 42.46 37.05 2b0h s ILE 1838CO 0.00 -0.85 0.18 -1.81 -0.10 0.00 0.00 174.94 172.36 2b0h s ASP 1839N 3.23 5.58 0.32 3.58 1.11 -1.26 -5.01 116.67 124.22 2b0h s ASP 1839Ca 0.07 -0.18 0.11 0.00 0.18 0.00 0.00 52.55 52.73 2b0h s ASP 1839Cb -0.26 -1.45 0.94 0.00 1.07 0.00 0.00 42.92 43.23 2b0h s ASP 1839CO 0.06 0.01 1.69 -0.65 1.18 0.00 0.00 175.17 177.46 2b0h h PRO 1840N 1.87 0.41 -0.33 8.23 0.11 -2.00 -0.79 132.00 139.50 2b0h h PRO 1840Ca -0.48 -0.02 -0.23 0.00 0.11 0.00 0.00 66.00 65.37 2b0h h PRO 1840Cb 1.22 -0.09 -0.16 0.00 0.11 0.00 0.00 31.00 32.07 2b0h h PRO 1840CO 0.62 0.27 -0.48 1.19 -0.21 0.00 0.00 178.00 179.39 2b0h n PHE 1841N -5.00 1.17 -2.20 0.65 3.72 -1.26 -4.95 117.46 109.59 2b0h n PHE 1841Ca 0.28 -1.80 -0.20 0.00 -0.05 0.00 0.00 57.45 55.68 2b0h n PHE 1841Cb 0.83 -0.36 -0.03 0.00 -0.94 0.00 0.00 39.48 38.98 2b0h n PHE 1841CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2b0h n THR 1842N -0.99 -0.71 -4.42 4.37 -2.24 -0.30 -4.73 114.28 105.25 2b0h n THR 1842Ca 0.31 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 62.10 2b0h n THR 1842Cb 0.84 -2.61 -0.00 0.00 -2.10 0.00 0.00 70.33 66.46 2b0h n THR 1842CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2b0h n MET 1843N -2.83 -0.23 0.00 -0.78 2.81 -1.26 -4.90 117.12 109.93 2b0h n MET 1843Ca -0.23 0.15 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 2b0h n MET 1843Cb 0.67 -0.28 0.00 0.00 -0.71 0.00 0.00 33.22 32.90 2b0h n MET 1843CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2b0h n GLY 1844N -0.35 2.55 1.73 3.03 0.00 -1.26 -5.11 105.19 105.78 2b0h n GLY 1844Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2b0h n GLY 1844CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2b0h n ASP 1845N 0.00 -7.01 0.28 1.61 8.00 -1.26 -4.44 116.55 113.74 2b0h n ASP 1845Ca 0.00 1.09 0.19 0.00 0.71 0.00 0.00 54.79 56.78 2b0h n ASP 1845Cb 0.00 -3.87 0.89 0.00 -0.02 0.00 0.00 41.12 38.12 2b0h n ASP 1845CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2b0h h PRO 1846N 2.98 0.00 -0.17 -0.24 0.11 -2.03 -1.54 132.00 131.11 2b0h h PRO 1846Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2b0h h PRO 1846Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2b0h h PRO 1846CO 0.00 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 176.94 2b0h n GLU 1847N -2.95 1.86 0.00 1.05 -0.00 -1.26 -5.04 120.64 114.30 2b0h n GLU 1847Ca -0.01 -1.80 0.00 0.00 -0.00 0.00 0.00 57.16 55.35 2b0h n GLU 1847Cb 0.18 -1.37 0.00 0.00 -0.00 0.00 0.00 31.44 30.25 2b0h n GLU 1847CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2b0h n GLY 1848N 1.06 1.61 2.56 -1.84 0.00 -0.58 -3.02 105.19 104.97 2b0h n GLY 1848Ca 0.13 0.11 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 2b0h n GLY 1848CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2b0h n SER 1849N 7.13 0.98 0.22 1.61 3.41 -1.26 -4.76 113.62 120.95 2b0h n SER 1849Ca 0.00 -2.78 0.06 0.00 -0.26 0.00 0.00 58.87 55.89 2b0h n SER 1849Cb 0.00 -0.38 0.50 0.00 -0.26 0.00 0.00 64.21 64.06 2b0h n SER 1849CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2b0h h PHE 1850N 2.93 0.00 -0.62 7.33 3.57 -1.82 -1.78 116.94 126.54 2b0h h PHE 1850Ca -0.07 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.49 2b0h h PHE 1850Cb 1.14 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.82 2b0h h PHE 1850CO 0.46 0.25 0.33 0.28 -2.23 0.00 0.00 178.31 177.40 2b0h h VAL 1851N 0.00 0.94 -0.04 1.41 2.07 -1.89 0.31 116.25 119.06 2b0h h VAL 1851Ca -0.00 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2b0h h VAL 1851Cb 0.51 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2b0h h VAL 1851CO 0.03 0.11 0.02 -0.78 0.02 0.00 0.00 177.57 176.97 2b0h h ASP 1852N 0.61 0.03 -0.65 0.57 3.58 -1.71 0.23 116.42 119.07 2b0h h ASP 1852Ca 0.28 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.70 2b0h h ASP 1852Cb 0.20 -0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 2b0h h ASP 1852CO -0.19 0.02 0.26 1.88 -2.88 0.00 0.00 179.24 178.33 2b0h h TYR 1853N 0.04 0.99 0.46 0.28 0.05 -1.17 -1.95 116.97 115.67 2b0h h TYR 1853Ca 0.01 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 2b0h h TYR 1853Cb 0.00 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.43 2b0h h TYR 1853CO -0.08 0.78 -0.37 0.37 -1.05 0.00 0.00 178.16 177.81 2b0h h GLN 1854N 0.92 -0.79 -0.64 4.88 4.15 -0.19 -2.97 115.11 120.46 2b0h h GLN 1854Ca 0.22 0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.74 2b0h h GLN 1854Cb 0.21 0.18 -0.05 0.00 0.21 0.00 0.00 27.48 28.03 2b0h h GLN 1854CO -0.02 -0.53 0.36 1.15 -1.93 0.00 0.00 178.83 177.87 2b0h h THR 1855N -0.82 0.99 -0.42 2.39 2.02 -0.77 -1.02 112.91 115.27 2b0h h THR 1855Ca -0.05 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 2b0h h THR 1855Cb 0.71 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 2b0h h THR 1855CO -0.01 0.12 0.20 0.00 0.37 0.00 0.00 175.52 176.21 2b0h h THR 1856N 0.68 1.18 0.00 3.16 1.03 -1.33 -1.34 112.91 116.29 2b0h h THR 1856Ca 0.28 -0.51 -0.09 0.00 -0.01 0.00 0.00 66.41 66.08 2b0h h THR 1856Cb 0.15 0.74 -0.01 0.00 -1.07 0.00 0.00 68.15 67.95 2b0h h THR 1856CO -0.16 0.19 -0.62 0.00 -0.01 0.00 0.00 175.52 174.92 2b0h h MET 1857N 0.54 0.00 -0.08 0.00 -0.00 -1.33 -2.36 114.93 111.70 2b0h h MET 1857Ca 0.14 0.00 -0.18 0.00 -0.00 0.00 0.00 59.70 59.66 2b0h h MET 1857Cb 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.72 2b0h h MET 1857CO -0.02 0.36 -0.72 -0.39 -0.00 0.00 0.00 176.91 176.14 2b0h h VAL 1858N 0.00 1.38 -0.83 -0.10 -1.51 -1.04 0.11 116.25 114.25 2b0h h VAL 1858Ca -0.03 -2.14 -0.02 0.00 -1.23 0.00 0.00 66.70 63.29 2b0h h VAL 1858Cb 1.34 2.11 -0.04 0.00 -2.13 0.00 0.00 31.29 32.57 2b0h h VAL 1858CO 0.05 0.64 0.46 0.03 -1.23 0.00 0.00 177.57 177.52 2b0h h ARG 1859N 0.27 1.16 -0.44 5.19 2.47 -1.18 -1.92 114.38 119.92 2b0h h ARG 1859Ca -0.03 -0.13 -0.07 0.00 -1.26 0.00 0.00 59.98 58.49 2b0h h ARG 1859Cb 1.30 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 29.37 2b0h h ARG 1859CO 0.12 0.85 -0.01 1.15 0.56 0.00 0.00 179.97 182.64 2b0h h THR 1860N 1.15 1.26 -0.80 2.04 2.02 -1.16 -0.82 112.91 116.60 2b0h h THR 1860Ca 0.29 -1.05 0.02 0.00 0.77 0.00 0.00 66.41 66.44 2b0h h THR 1860Cb 0.03 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 2b0h h THR 1860CO -0.05 0.36 0.52 0.00 0.37 0.00 0.00 175.52 176.73 2b0h h ALA 1861N 0.90 1.04 -0.50 6.16 0.00 -0.56 0.30 119.26 126.60 2b0h h ALA 1861Ca 0.12 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2b0h h ALA 1861Cb 0.50 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2b0h h ALA 1861CO 0.02 0.39 -0.07 0.87 0.00 0.00 0.00 179.25 180.46 2b0h h LYS 1862N 1.05 0.89 -0.47 0.00 1.57 -1.18 0.08 116.57 118.52 2b0h h LYS 1862Ca 0.31 -0.29 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 2b0h h LYS 1862Cb -0.06 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 2b0h h LYS 1862CO -0.09 0.93 -0.11 0.00 -0.57 0.00 0.00 179.45 179.61 2b0h h ALA 1863N 1.11 0.92 -0.16 3.86 0.00 -0.28 -1.22 119.26 123.49 2b0h h ALA 1863Ca 0.14 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2b0h h ALA 1863Cb 0.58 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2b0h h ALA 1863CO 0.04 0.63 0.04 0.82 0.00 0.00 0.00 179.25 180.77 2b0h h ILE 1864N 0.77 1.20 -0.18 0.00 2.04 -0.14 -2.47 117.51 118.73 2b0h h ILE 1864Ca 0.13 -0.61 0.03 0.00 1.00 0.00 0.00 64.86 65.40 2b0h h ILE 1864Cb 0.62 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 2b0h h ILE 1864CO 0.04 0.19 -0.00 0.00 0.00 0.00 0.00 178.15 178.38 2b0h h ALA 1865N 0.85 0.15 0.00 1.87 0.00 -0.75 -1.11 119.26 120.27 2b0h h ALA 1865Ca 0.05 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2b0h h ALA 1865Cb 0.25 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2b0h h ALA 1865CO -0.00 -0.44 -0.17 -0.24 0.00 0.00 0.00 179.25 178.40 2b0h h VAL 1866N 0.06 0.88 0.10 0.00 3.04 -1.25 -0.15 116.25 118.92 2b0h h VAL 1866Ca 0.08 -0.65 -0.00 0.00 -1.01 0.00 0.00 66.70 65.12 2b0h h VAL 1866Cb 0.10 1.38 0.00 0.00 -2.01 0.00 0.00 31.29 30.76 2b0h h VAL 1866CO -0.14 0.17 -0.05 0.74 -1.01 0.00 0.00 177.57 177.28 2b0h h THR 1867N 0.00 1.08 0.00 3.17 2.02 -0.77 -0.37 112.91 118.05 2b0h h THR 1867Ca -0.00 -0.70 -0.05 0.00 0.77 0.00 0.00 66.41 66.42 2b0h h THR 1867Cb 0.36 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 2b0h h THR 1867CO 0.02 0.17 -0.25 -0.37 0.37 0.00 0.00 175.52 175.46 2b0h h VAL 1868N -0.45 1.14 0.00 3.16 -1.51 -0.79 0.66 116.25 118.46 2b0h h VAL 1868Ca -0.01 -0.86 -0.11 0.00 -1.23 0.00 0.00 66.70 64.49 2b0h h VAL 1868Cb 0.38 1.47 -0.02 0.00 -2.13 0.00 0.00 31.29 30.99 2b0h h VAL 1868CO 0.02 0.24 -0.50 -0.61 -1.23 0.00 0.00 177.57 175.49 2b0h h GLN 1869N 0.00 0.00 -0.08 5.19 5.75 -0.92 -2.11 115.11 122.94 2b0h h GLN 1869Ca -0.00 0.00 -0.24 0.00 -0.15 0.00 0.00 58.65 58.26 2b0h h GLN 1869Cb 0.45 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.01 2b0h h GLN 1869CO 0.03 0.50 -0.90 0.93 -2.65 0.00 0.00 178.83 176.74 2b0h h GLU 1870N 0.00 0.73 -0.84 1.69 5.08 0.40 -3.07 114.58 118.58 2b0h h GLU 1870Ca -0.01 -0.68 0.08 0.00 -1.00 0.00 0.00 59.36 57.75 2b0h h GLU 1870Cb 1.10 0.17 -0.07 0.00 0.50 0.00 0.00 28.75 30.45 2b0h h GLU 1870CO 0.07 1.27 0.50 0.52 -1.00 0.00 0.00 179.01 180.37 2b0h h MET 1871N 0.46 0.84 -0.05 2.33 2.86 -0.39 0.68 114.93 121.67 2b0h h MET 1871Ca -0.09 -0.05 -0.15 0.00 -2.06 0.00 0.00 59.70 57.36 2b0h h MET 1871Cb 1.54 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 33.00 2b0h h MET 1871CO 0.18 0.56 -0.63 -0.39 1.06 0.00 0.00 176.91 177.69 2b0h h VAL 1872N 0.87 1.41 -0.20 -2.22 -1.51 -1.50 0.87 116.25 113.96 2b0h h VAL 1872Ca 0.39 -2.05 -0.19 0.00 -1.23 0.00 0.00 66.70 63.62 2b0h h VAL 1872Cb 0.28 2.06 -0.00 0.00 -2.13 0.00 0.00 31.29 31.51 2b0h h VAL 1872CO -0.21 0.60 -0.62 0.74 -1.23 0.00 0.00 177.57 176.85 2b0h h THR 1873N 0.13 1.30 0.53 7.19 2.02 -0.97 -3.21 112.91 119.91 2b0h h THR 1873Ca -0.01 -1.85 -0.03 0.00 0.77 0.00 0.00 66.41 65.30 2b0h h THR 1873Cb 1.13 1.80 0.01 0.00 -1.74 0.00 0.00 68.15 69.35 2b0h h THR 1873CO 0.09 0.58 -0.25 0.11 0.37 0.00 0.00 175.52 176.42 2b0h h LYS 1874N 0.52 -0.68 -0.96 6.66 1.79 0.36 -3.34 116.57 120.92 2b0h h LYS 1874Ca -0.01 0.05 0.28 0.00 -2.18 0.00 0.00 60.65 58.79 2b0h h LYS 1874Cb 1.20 0.16 -0.04 0.00 -1.58 0.00 0.00 32.23 31.97 2b0h h LYS 1874CO 0.12 -0.46 0.75 0.66 -1.08 0.00 0.00 179.45 179.45 2b0h h SER 1875N -1.09 0.00 -0.85 0.86 4.64 -0.68 1.52 113.55 117.95 2b0h h SER 1875Ca -0.07 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.29 2b0h h SER 1875Cb 0.54 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.58 2b0h h SER 1875CO 0.12 0.00 0.54 0.78 -0.87 0.00 0.00 176.83 177.40 2b0h h ASN 1876N 0.00 0.89 0.00 4.97 2.35 -1.68 -3.34 115.58 118.78 2b0h h ASN 1876Ca 0.46 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.20 2b0h h ASN 1876Cb 1.95 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 40.12 2b0h h ASN 1876CO -0.00 0.61 -0.92 0.35 -1.65 0.00 0.00 177.43 175.81 2b0h n THR 1877N -4.57 0.00 -3.98 2.81 -2.24 0.59 -5.01 114.28 101.88 2b0h n THR 1877Ca 0.11 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.58 2b0h n THR 1877Cb 0.11 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.19 2b0h n THR 1877CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2b0h s SER 1878N -2.18 4.38 0.11 3.42 0.01 0.49 -4.93 113.70 114.99 2b0h s SER 1878Ca 0.00 -1.65 0.03 0.00 1.31 0.00 0.00 55.95 55.64 2b0h s SER 1878Cb 0.00 -1.42 -0.23 0.00 0.21 0.00 0.00 66.02 64.59 2b0h s SER 1878CO 0.00 -0.29 1.24 -0.65 0.41 0.00 0.00 173.24 173.94 2b0h h PRO 1879N 7.79 0.10 -0.24 12.44 0.11 -1.81 -3.02 132.00 147.37 2b0h h PRO 1879Ca -0.13 -0.17 -0.15 0.00 0.11 0.00 0.00 66.00 65.67 2b0h h PRO 1879Cb 1.04 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2b0h h PRO 1879CO 0.47 1.07 -0.44 0.93 -0.21 0.00 0.00 178.00 179.83 2b0h h GLU 1880N 0.03 0.72 0.00 1.05 5.08 -1.90 -2.88 114.58 116.69 2b0h h GLU 1880Ca -0.05 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2b0h h GLU 1880Cb 1.83 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.13 2b0h h GLU 1880CO 0.16 1.08 0.00 0.39 -1.00 0.00 0.00 179.01 179.63 2b0h n GLU 1881N -4.16 0.16 0.17 2.33 -0.58 -1.26 -1.67 120.64 115.62 2b0h n GLU 1881Ca -0.05 0.59 0.13 0.00 -0.42 0.00 0.00 57.16 57.41 2b0h n GLU 1881Cb 0.56 -1.96 0.41 0.00 -0.57 0.00 0.00 31.44 29.88 2b0h n GLU 1881CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2b0h h LEU 1882N 0.00 0.00 0.65 -4.62 3.38 -1.69 -3.20 115.31 109.83 2b0h h LEU 1882Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2b0h h LEU 1882Cb 0.09 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.85 2b0h h LEU 1882CO 0.00 0.00 -0.31 1.23 0.09 0.00 0.00 178.44 179.45 2b0h h GLY 1883N 3.51 -0.91 1.58 0.83 0.00 -1.49 -0.58 103.07 106.01 2b0h h GLY 1883Ca 0.00 0.34 0.02 0.00 0.00 0.00 0.00 47.33 47.69 2b0h h GLY 1883CO 0.00 -0.33 0.24 -0.56 0.00 0.00 0.00 176.54 175.89 2b0h h PRO 1884N -1.07 0.41 -0.29 4.80 0.13 -1.78 -2.63 132.00 131.57 2b0h h PRO 1884Ca -0.09 -0.02 -0.14 0.00 -0.87 0.00 0.00 66.00 64.87 2b0h h PRO 1884Cb 0.67 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.71 2b0h h PRO 1884CO 0.15 0.27 -0.38 -0.07 -0.23 0.00 0.00 178.00 177.74 2b0h h LEU 1885N 0.42 0.84 -0.55 1.56 3.38 -1.54 0.16 115.31 119.58 2b0h h LEU 1885Ca 0.14 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 2b0h h LEU 1885Cb 0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2b0h h LEU 1885CO -0.03 1.17 0.24 0.00 0.09 0.00 0.00 178.44 179.91 2b0h h ALA 1886N 0.69 0.72 -0.65 1.53 0.00 -0.80 0.25 119.26 121.00 2b0h h ALA 1886Ca 0.04 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2b0h h ALA 1886Cb 0.97 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2b0h h ALA 1886CO 0.09 0.31 0.07 -0.91 0.00 0.00 0.00 179.25 178.81 2b0h h ASN 1887N 0.75 1.06 -0.15 0.00 2.35 -1.43 -2.23 115.58 115.92 2b0h h ASN 1887Ca 0.19 -0.27 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 2b0h h ASN 1887Cb 0.16 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 2b0h h ASN 1887CO -0.02 1.07 0.06 -0.61 -1.65 0.00 0.00 177.43 176.28 2b0h h GLN 1888N 1.02 0.23 -0.29 0.81 5.75 -0.03 0.11 115.11 122.70 2b0h h GLN 1888Ca 0.19 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.68 2b0h h GLN 1888Cb 0.48 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.97 2b0h h GLN 1888CO 0.02 0.31 0.13 1.25 -2.65 0.00 0.00 178.83 177.89 2b0h h LEU 1889N 0.10 0.17 -0.83 -2.39 6.46 -0.50 -1.09 115.31 117.24 2b0h h LEU 1889Ca 0.05 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.87 2b0h h LEU 1889Cb 0.17 -0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.04 2b0h h LEU 1889CO -0.00 0.13 0.52 0.74 -0.62 0.00 0.00 178.44 179.21 2b0h h THR 1890N 0.27 1.10 -0.10 1.05 2.02 -1.11 -1.21 112.91 114.93 2b0h h THR 1890Ca 0.12 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 2b0h h THR 1890Cb 0.07 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.49 2b0h h THR 1890CO -0.11 0.18 0.02 0.28 0.37 0.00 0.00 175.52 176.27 2b0h h SER 1891N 1.00 0.15 0.72 4.18 0.02 -0.24 -3.17 113.55 116.21 2b0h h SER 1891Ca 0.34 -0.23 -0.10 0.00 -0.84 0.00 0.00 61.79 60.96 2b0h h SER 1891Cb 0.06 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2b0h h SER 1891CO -0.13 0.34 -0.46 0.44 -1.14 0.00 0.00 176.83 175.88 2b0h h ASP 1892N -0.05 0.00 -0.78 3.07 3.32 -0.95 -2.63 116.42 118.39 2b0h h ASP 1892Ca 0.03 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 2b0h h ASP 1892Cb 0.25 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 2b0h h ASP 1892CO 0.00 0.46 0.46 0.22 -1.72 0.00 0.00 179.24 178.66 2b0h h TYR 1893N 0.00 1.06 -0.29 4.55 3.20 -1.20 -0.53 116.97 123.75 2b0h h TYR 1893Ca -0.00 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 2b0h h TYR 1893Cb 0.95 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 2b0h h TYR 1893CO 0.00 0.72 0.01 0.78 -1.64 0.00 0.00 178.16 178.03 2b0h h GLY 1894N 1.12 0.47 1.35 1.82 0.00 -1.45 0.17 103.07 106.55 2b0h h GLY 1894Ca 0.28 -0.26 -0.13 0.00 0.00 0.00 0.00 47.33 47.22 2b0h h GLY 1894CO -0.05 0.24 -0.34 -0.09 0.00 0.00 0.00 176.54 176.30 2b0h h ARG 1895N 0.43 0.73 0.14 4.80 2.43 -1.22 -2.89 114.38 118.79 2b0h h ARG 1895Ca 0.10 -0.35 -0.01 0.00 -0.81 0.00 0.00 59.98 58.91 2b0h h ARG 1895Cb 0.27 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2b0h h ARG 1895CO 0.01 0.96 -0.07 1.25 -1.51 0.00 0.00 179.97 180.61 2b0h h LEU 1896N 0.61 -0.16 -2.05 3.80 5.85 -0.38 -3.27 115.31 119.71 2b0h h LEU 1896Ca 0.06 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 2b0h h LEU 1896Cb 0.87 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 2b0h h LEU 1896CO 0.08 0.37 -0.09 0.00 -0.34 0.00 0.00 178.44 178.45 2b0h h ALA 1897N -0.08 1.34 0.00 1.25 0.00 -0.77 -2.00 119.26 119.00 2b0h h ALA 1897Ca -0.02 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 2b0h h ALA 1897Cb 0.53 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2b0h h ALA 1897CO 0.03 0.11 -0.48 0.66 0.00 0.00 0.00 179.25 179.58 2b0h h SER 1898N 0.00 0.00 0.94 0.00 4.64 -1.59 -3.02 113.55 114.52 2b0h h SER 1898Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2b0h h SER 1898Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2b0h h SER 1898CO 0.01 0.48 -0.22 0.00 -0.87 0.00 0.00 176.83 176.23 2b0h n GLN 1899N -3.22 0.09 0.25 4.77 1.13 -0.76 -3.19 117.38 116.45 2b0h n GLN 1899Ca 0.02 0.05 0.12 0.00 -1.94 0.00 0.00 57.00 55.25 2b0h n GLN 1899Cb 0.72 -1.59 0.62 0.00 0.11 0.00 0.00 30.24 30.11 2b0h n GLN 1899CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2b0h h ALA 1900N 2.84 1.15 0.16 -1.58 0.00 -1.44 -2.55 119.26 117.84 2b0h h ALA 1900Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2b0h h ALA 1900Cb 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2b0h h ALA 1900CO 0.00 0.20 -0.08 -0.22 0.00 0.00 0.00 179.25 179.15 2b0h h LYS 1901N 0.00 -0.21 -0.02 0.00 1.63 -1.70 -2.79 116.57 113.48 2b0h h LYS 1901Ca -0.00 0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.76 2b0h h LYS 1901Cb 0.51 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.18 2b0h h LYS 1901CO 0.02 0.12 -0.24 -1.35 -3.45 0.00 0.00 179.45 174.56 2b0h h PRO 1902N -0.98 0.03 0.00 1.90 0.11 -1.73 -1.78 132.00 129.56 2b0h h PRO 1902Ca -0.02 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.00 2b0h h PRO 1902Cb 0.43 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 2b0h h PRO 1902CO 0.04 0.27 -0.37 0.00 -0.21 0.00 0.00 178.00 177.72 2b0h h ALA 1903N 1.73 1.09 0.06 -0.75 0.00 -1.56 -2.10 119.26 117.72 2b0h h ALA 1903Ca 0.00 -0.34 -0.25 0.00 0.00 0.00 0.00 54.91 54.32 2b0h h ALA 1903Cb 0.44 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.18 2b0h h ALA 1903CO 0.03 0.46 -1.08 0.00 0.00 0.00 0.00 179.25 178.66 2b0h h ALA 1904N 1.63 0.23 -0.00 0.00 0.00 -1.04 -1.63 119.26 118.44 2b0h h ALA 1904Ca -0.00 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2b0h h ALA 1904Cb 0.81 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2b0h h ALA 1904CO 0.05 0.84 -0.16 1.33 0.00 0.00 0.00 179.25 181.31 2b0h n VAL 1905N -3.69 0.00 0.47 0.00 0.24 -1.03 -2.94 118.33 111.38 2b0h n VAL 1905Ca -0.08 -0.01 0.07 0.00 -2.04 0.00 0.00 64.34 62.28 2b0h n VAL 1905Cb 0.91 -0.22 0.08 0.00 -1.47 0.00 0.00 33.84 33.15 2b0h n VAL 1905CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2b0h n ALA 1906N -1.41 2.44 -2.26 2.33 0.00 -0.80 -4.97 120.51 115.83 2b0h n ALA 1906Ca 0.08 -0.71 -0.43 0.00 0.00 0.00 0.00 53.44 52.39 2b0h n ALA 1906Cb 0.33 -0.50 -0.02 0.00 0.00 0.00 0.00 19.45 19.25 2b0h n ALA 1906CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2b0h s ALA 1907N -1.18 3.63 0.11 0.00 0.00 -0.62 -4.73 121.76 118.97 2b0h s ALA 1907Ca 0.19 0.62 -0.15 0.00 0.00 0.00 0.00 51.96 52.62 2b0h s ALA 1907Cb 0.13 -3.68 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 2b0h s ALA 1907CO 0.19 -1.30 1.51 0.93 0.00 0.00 0.00 175.76 177.09 2b0h h GLU 1908N 8.80 0.67 -6.24 0.00 5.08 -1.90 -3.45 114.58 117.55 2b0h h GLU 1908Ca -0.31 -0.26 -0.52 0.00 -1.00 0.00 0.00 59.36 57.27 2b0h h GLU 1908Cb 1.13 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2b0h h GLU 1908CO 0.97 0.84 -0.35 -0.80 -1.00 0.00 0.00 179.01 178.67 2b0h s ASN 1909N -6.28 6.36 0.06 1.42 0.02 -1.26 -5.03 114.94 110.23 2b0h s ASN 1909Ca -0.13 0.33 -0.26 0.00 -1.02 0.00 0.00 52.86 51.78 2b0h s ASN 1909Cb 0.09 -1.98 -0.17 0.00 0.02 0.00 0.00 41.25 39.22 2b0h s ASN 1909CO 0.80 -0.07 1.58 -0.08 0.02 0.00 0.00 177.10 179.35 2b0h h GLU 1910N 1.72 -0.23 0.00 -0.60 4.81 -2.00 -3.10 114.58 115.18 2b0h h GLU 1910Ca -0.49 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 58.71 2b0h h GLU 1910Cb 1.20 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 2b0h h GLU 1910CO 0.66 -0.06 -0.22 0.93 -0.73 0.00 0.00 179.01 179.60 2b0h h GLU 1911N -0.35 0.00 0.24 1.92 5.08 -1.98 -2.72 114.58 116.77 2b0h h GLU 1911Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2b0h h GLU 1911Cb 0.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2b0h h GLU 1911CO 0.04 0.22 -0.25 0.82 -1.00 0.00 0.00 179.01 178.83 2b0h h ILE 1912N 0.00 0.46 0.00 3.13 2.04 -1.84 0.43 117.51 121.73 2b0h h ILE 1912Ca -0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 2b0h h ILE 1912Cb 0.43 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2b0h h ILE 1912CO 0.03 0.00 -0.22 1.23 0.00 0.00 0.00 178.15 179.19 2b0h h GLY 1913N -0.53 0.00 0.46 5.37 0.00 -1.59 -1.68 103.07 105.10 2b0h h GLY 1913Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2b0h h GLY 1913CO -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.45 2b0h h ALA 1914N 1.78 0.02 -0.63 3.60 0.00 -1.03 -3.10 119.26 119.90 2b0h h ALA 1914Ca -0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 2b0h h ALA 1914Cb 0.45 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2b0h h ALA 1914CO 0.03 -0.18 0.03 0.45 0.00 0.00 0.00 179.25 179.58 2b0h h HIS 1915N -0.52 1.19 0.27 0.00 3.86 0.06 -1.90 115.15 118.11 2b0h h HIS 1915Ca 0.00 -0.19 0.01 0.00 -1.16 0.00 0.00 60.37 59.02 2b0h h HIS 1915Cb 0.60 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 2b0h h HIS 1915CO 0.12 1.03 -0.43 0.82 0.86 0.00 0.00 177.93 180.33 2b0h h ILE 1916N 1.01 0.14 0.00 2.45 2.04 -1.38 0.15 117.51 121.92 2b0h h ILE 1916Ca 0.18 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.01 2b0h h ILE 1916Cb 0.53 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 2b0h h ILE 1916CO 0.03 0.00 -0.15 0.11 0.00 0.00 0.00 178.15 178.14 2b0h h LYS 1917N -0.76 0.00 -0.03 2.37 1.57 -1.50 -2.62 116.57 115.60 2b0h h LYS 1917Ca -0.01 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 2b0h h LYS 1917Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 2b0h h LYS 1917CO -0.16 0.15 -0.09 1.25 -0.57 0.00 0.00 179.45 180.03 2b0h h HIS 1918N 0.00 0.15 -0.18 -1.35 2.76 -0.61 -3.00 115.15 112.92 2b0h h HIS 1918Ca -0.00 -0.06 -0.13 0.00 -2.20 0.00 0.00 60.37 57.98 2b0h h HIS 1918Cb 0.47 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 2b0h h HIS 1918CO 0.00 0.72 -0.44 0.00 -1.30 0.00 0.00 177.93 176.91 2b0h h ARG 1919N -0.47 0.42 0.00 5.26 2.47 -0.48 -2.14 114.38 119.45 2b0h h ARG 1919Ca -0.00 -0.22 -0.07 0.00 -1.26 0.00 0.00 59.98 58.43 2b0h h ARG 1919Cb 0.72 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.04 2b0h h ARG 1919CO 0.02 0.78 -0.31 -0.39 0.56 0.00 0.00 179.97 180.63 2b0h h VAL 1920N 0.35 0.71 -0.07 2.04 -1.51 -1.59 -2.60 116.25 113.58 2b0h h VAL 1920Ca 0.03 -1.39 -0.17 0.00 -1.23 0.00 0.00 66.70 63.93 2b0h h VAL 1920Cb 0.91 1.90 -0.01 0.00 -2.13 0.00 0.00 31.29 31.96 2b0h h VAL 1920CO 0.08 0.30 -0.70 -0.61 -1.23 0.00 0.00 177.57 175.41 2b0h h GLN 1921N 0.00 0.33 -0.37 5.19 4.15 -1.26 -1.65 115.11 121.51 2b0h h GLN 1921Ca -0.00 -0.26 -0.01 0.00 0.77 0.00 0.00 58.65 59.15 2b0h h GLN 1921Cb 0.88 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.60 2b0h h GLN 1921CO 0.04 0.90 0.21 0.93 -1.93 0.00 0.00 178.83 178.98 2b0h h GLU 1922N 0.23 0.51 -0.02 1.69 5.08 -1.09 -2.16 114.58 118.83 2b0h h GLU 1922Ca -0.02 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 2b0h h GLU 1922Cb 1.25 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2b0h h GLU 1922CO 0.11 0.40 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.26 2b0h h LEU 1923N 0.48 0.03 -1.15 1.33 3.38 -1.35 -2.51 115.31 115.51 2b0h h LEU 1923Ca 0.13 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.16 2b0h h LEU 1923Cb 0.04 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 2b0h h LEU 1923CO -0.02 0.23 0.59 1.23 0.09 0.00 0.00 178.44 180.55 2b0h h GLY 1924N 0.63 1.32 0.44 0.83 0.00 -0.62 0.26 103.07 105.93 2b0h h GLY 1924Ca 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 2b0h h GLY 1924CO 0.03 0.29 -0.09 0.45 0.00 0.00 0.00 176.54 177.21 2b0h h HIS 1925N 1.01 -0.24 -0.45 5.60 3.86 -1.34 -3.10 115.15 120.49 2b0h h HIS 1925Ca 0.39 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.58 2b0h h HIS 1925Cb 0.23 0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 2b0h h HIS 1925CO -0.00 0.17 0.22 0.78 0.86 0.00 0.00 177.93 179.95 2b0h h GLY 1926N -0.83 0.69 1.01 2.45 0.00 -1.24 -1.95 103.07 103.21 2b0h h GLY 1926Ca -0.03 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 2b0h h GLY 1926CO 0.04 0.32 0.11 0.00 0.00 0.00 0.00 176.54 177.01 2b0h h SER 1928N 0.82 0.76 -0.07 0.00 0.87 -1.44 -1.06 113.55 113.43 2b0h h SER 1928Ca 0.17 -0.28 -0.19 0.00 -1.23 0.00 0.00 61.79 60.27 2b0h h SER 1928Cb 0.39 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2b0h h SER 1928CO 0.01 0.97 -0.63 0.00 -0.53 0.00 0.00 176.83 176.65 2b0h h ALA 1929N 1.08 0.52 -0.01 6.23 0.00 -1.14 -2.97 119.26 122.98 2b0h h ALA 1929Ca 0.09 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2b0h h ALA 1929Cb 0.74 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2b0h h ALA 1929CO 0.06 0.70 0.00 1.25 0.00 0.00 0.00 179.25 181.26 2b0h h LEU 1930N 0.50 0.02 -1.69 0.00 6.46 -0.37 -2.23 115.31 118.00 2b0h h LEU 1930Ca -0.01 -0.19 -0.04 0.00 -0.12 0.00 0.00 57.88 57.52 2b0h h LEU 1930Cb 1.22 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.14 2b0h h LEU 1930CO 0.13 0.20 -0.19 -0.37 -0.62 0.00 0.00 178.44 177.59 2b0h h VAL 1931N -0.17 0.91 -0.28 1.05 -1.51 -1.27 0.27 116.25 115.25 2b0h h VAL 1931Ca 0.00 -0.69 -0.09 0.00 -1.23 0.00 0.00 66.70 64.69 2b0h h VAL 1931Cb 0.19 1.40 -0.01 0.00 -2.13 0.00 0.00 31.29 30.74 2b0h h VAL 1931CO -0.00 0.18 -0.16 0.74 -1.23 0.00 0.00 177.57 177.10 2b0h h THR 1932N 0.00 1.30 -0.32 7.19 2.02 -1.33 -0.12 112.91 121.65 2b0h h THR 1932Ca -0.00 -1.27 -0.14 0.00 0.77 0.00 0.00 66.41 65.77 2b0h h THR 1932Cb 0.38 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 2b0h h THR 1932CO 0.02 0.40 -0.37 0.11 0.37 0.00 0.00 175.52 176.06 2b0h h LYS 1933N 0.35 0.73 -0.58 6.66 1.79 -0.72 0.04 116.57 124.83 2b0h h LYS 1933Ca 0.06 -0.36 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 2b0h h LYS 1933Cb 0.69 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.31 2b0h h LYS 1933CO 0.05 0.98 0.36 0.00 -1.08 0.00 0.00 179.45 179.76 2b0h h ALA 1934N 0.98 0.73 -0.45 3.86 0.00 -0.41 0.11 119.26 124.09 2b0h h ALA 1934Ca 0.06 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2b0h h ALA 1934Cb 0.90 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2b0h h ALA 1934CO 0.08 0.20 -0.25 0.78 0.00 0.00 0.00 179.25 180.06 2b0h h GLY 1935N 0.78 1.02 0.82 0.00 0.00 -0.86 -1.33 103.07 103.50 2b0h h GLY 1935Ca 0.21 -0.92 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 2b0h h GLY 1935CO -0.04 0.84 0.02 0.00 0.00 0.00 0.00 176.54 177.36 2b0h h ALA 1936N 0.90 0.11 0.00 3.60 0.00 -0.61 -1.61 119.26 121.65 2b0h h ALA 1936Ca 0.10 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2b0h h ALA 1936Cb 0.82 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2b0h h ALA 1936CO 0.07 -0.27 -0.27 1.25 0.00 0.00 0.00 179.25 180.02 2b0h h LEU 1937N -0.06 0.00 -0.40 0.00 5.85 -0.83 0.11 115.31 119.97 2b0h h LEU 1937Ca 0.03 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 2b0h h LEU 1937Cb 0.23 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2b0h h LEU 1937CO -0.00 0.27 0.04 -0.61 -0.34 0.00 0.00 178.44 177.80 2b0h h GLN 1938N 0.00 0.68 0.00 1.25 4.15 -0.82 -2.88 115.11 117.49 2b0h h GLN 1938Ca -0.00 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.22 2b0h h GLN 1938Cb 0.63 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.25 2b0h h GLN 1938CO 0.04 0.75 -0.48 0.00 -1.93 0.00 0.00 178.83 177.21 2b0h s SER 1940N -5.16 2.93 0.00 0.00 0.01 0.34 -4.96 113.70 106.85 2b0h s SER 1940Ca 0.05 -2.53 0.28 0.00 1.31 0.00 0.00 55.95 55.06 2b0h s SER 1940Cb 0.10 -0.62 1.25 0.00 0.21 0.00 0.00 66.02 66.97 2b0h s SER 1940CO 0.71 -0.26 1.85 -0.81 0.41 0.00 0.00 173.24 175.14 2b0h n PRO 1941N 3.61 1.44 0.00 12.44 -0.04 -1.13 -3.50 135.00 147.83 2b0h n PRO 1941Ca 0.15 -0.65 0.13 0.00 -0.04 0.00 0.00 63.50 63.09 2b0h n PRO 1941Cb 0.38 -1.46 0.37 0.00 -0.04 0.00 0.00 33.50 32.75 2b0h n PRO 1941CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2b0h n SER 1942N -0.20 1.79 -4.31 3.54 2.88 -1.26 -4.76 113.62 111.30 2b0h n SER 1942Ca 0.20 -1.51 -0.40 0.00 -1.33 0.00 0.00 58.87 55.82 2b0h n SER 1942Cb 0.26 0.05 -0.11 0.00 -0.75 0.00 0.00 64.21 63.67 2b0h n SER 1942CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2b0h s ASP 1943N -2.11 5.61 0.38 -3.46 -1.08 -1.23 -4.94 116.67 109.85 2b0h s ASP 1943Ca 0.32 -1.24 0.20 0.00 -0.52 0.00 0.00 52.55 51.31 2b0h s ASP 1943Cb 0.20 -1.98 0.57 0.00 -1.46 0.00 0.00 42.92 40.26 2b0h s ASP 1943CO 0.37 -0.44 1.68 1.62 0.52 0.00 0.00 175.17 178.92 2b0h h VAL 1944N 6.02 0.65 -0.28 1.11 3.04 -1.90 -3.21 116.25 121.67 2b0h h VAL 1944Ca -0.24 -1.51 -0.14 0.00 -1.01 0.00 0.00 66.70 63.80 2b0h h VAL 1944Cb 1.09 2.02 -0.00 0.00 -2.01 0.00 0.00 31.29 32.38 2b0h h VAL 1944CO 0.69 0.31 -0.36 1.88 -1.01 0.00 0.00 177.57 179.08 2b0h h TYR 1945N 0.00 0.91 -0.77 3.17 0.05 -1.98 0.99 116.97 119.33 2b0h h TYR 1945Ca -0.00 -0.29 0.06 0.00 0.05 0.00 0.00 58.73 58.55 2b0h h TYR 1945Cb 0.99 -0.18 -0.06 0.00 1.01 0.00 0.00 36.73 38.49 2b0h h TYR 1945CO 0.00 1.07 0.46 1.15 -1.05 0.00 0.00 178.16 179.78 2b0h h THR 1946N 0.49 0.99 -0.58 -2.88 2.02 -1.94 0.79 112.91 111.81 2b0h h THR 1946Ca 0.04 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 66.89 2b0h h THR 1946Cb 0.95 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 2b0h h THR 1946CO 0.09 0.15 0.22 0.50 0.37 0.00 0.00 175.52 176.84 2b0h h LYS 1947N 0.83 0.88 0.43 6.66 3.64 -1.46 -1.71 116.57 125.83 2b0h h LYS 1947Ca 0.35 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 2b0h h LYS 1947Cb 0.20 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2b0h h LYS 1947CO -0.19 0.76 -0.23 0.87 -2.27 0.00 0.00 179.45 178.40 2b0h h LYS 1948N 0.80 -0.59 -0.66 1.90 1.79 0.07 -2.60 116.57 117.28 2b0h h LYS 1948Ca 0.19 0.04 0.02 0.00 -2.18 0.00 0.00 60.65 58.72 2b0h h LYS 1948Cb 0.23 0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 30.98 2b0h h LYS 1948CO -0.01 -0.39 0.44 0.93 -1.08 0.00 0.00 179.45 179.33 2b0h h GLU 1949N -0.61 0.82 0.08 3.15 5.08 -0.79 0.55 114.58 122.87 2b0h h GLU 1949Ca -0.05 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2b0h h GLU 1949Cb 0.49 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2b0h h GLU 1949CO 0.07 0.55 -0.16 1.25 -1.00 0.00 0.00 179.01 179.72 2b0h h LEU 1950N 0.85 -0.45 -0.62 1.33 6.46 -1.15 -1.36 115.31 120.37 2b0h h LEU 1950Ca 0.25 0.06 -0.13 0.00 -0.12 0.00 0.00 57.88 57.94 2b0h h LEU 1950Cb -0.02 0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 2b0h h LEU 1950CO -0.06 -0.23 -0.27 0.40 -0.62 0.00 0.00 178.44 177.65 2b0h h ILE 1951N -0.31 1.27 -0.04 4.05 2.04 -0.92 0.94 117.51 124.54 2b0h h ILE 1951Ca 0.03 -1.41 -0.02 0.00 1.00 0.00 0.00 64.86 64.46 2b0h h ILE 1951Cb 0.34 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 2b0h h ILE 1951CO -0.10 0.47 -0.05 -0.33 0.00 0.00 0.00 178.15 178.14 2b0h h GLU 1952N 0.69 0.06 0.13 2.37 4.39 -0.76 -2.67 114.58 118.78 2b0h h GLU 1952Ca 0.08 -0.01 -0.28 0.00 0.34 0.00 0.00 59.36 59.50 2b0h h GLU 1952Cb 0.80 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 2b0h h GLU 1952CO 0.07 0.12 -1.40 0.00 -1.16 0.00 0.00 179.01 176.64 2b0h h ALA 1954N -0.02 1.42 0.00 0.00 0.00 -0.58 -0.22 119.26 119.86 2b0h h ALA 1954Ca -0.29 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 2b0h h ALA 1954Cb 1.79 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 2b0h h ALA 1954CO 0.08 0.42 -0.13 0.07 0.00 0.00 0.00 179.25 179.68 2b0h h ARG 1955N 1.15 0.00 0.13 0.00 0.11 -1.66 -2.85 114.38 111.26 2b0h h ARG 1955Ca 0.44 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 60.22 2b0h h ARG 1955Cb 0.20 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.31 2b0h h ARG 1955CO -0.18 0.13 -1.25 0.00 0.10 0.00 0.00 179.97 178.77 2b0h h ARG 1956N 0.00 0.63 0.00 0.08 3.08 -1.21 -3.28 114.38 113.68 2b0h h ARG 1956Ca -0.00 -0.84 -0.08 0.00 0.07 0.00 0.00 59.98 59.13 2b0h h ARG 1956Cb 0.35 0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 2b0h h ARG 1956CO 0.02 1.38 -0.37 -0.39 -1.07 0.00 0.00 179.97 179.54 2b0h h VAL 1957N 0.27 1.25 0.00 2.04 -1.51 -1.26 -1.56 116.25 115.48 2b0h h VAL 1957Ca -0.19 -1.28 -0.01 0.00 -1.23 0.00 0.00 66.70 63.99 2b0h h VAL 1957Cb 1.92 1.70 -0.00 0.00 -2.13 0.00 0.00 31.29 32.78 2b0h h VAL 1957CO 0.24 0.37 -0.04 0.28 -1.23 0.00 0.00 177.57 177.19 2b0h h SER 1958N 0.00 0.00 -0.07 4.19 0.02 -1.59 0.30 113.55 116.39 2b0h h SER 1958Ca -0.00 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.73 2b0h h SER 1958Cb 0.67 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.21 2b0h h SER 1958CO 0.05 0.04 -0.76 -0.33 -1.14 0.00 0.00 176.83 174.69 2b0h h GLU 1959N 0.00 0.72 -0.00 3.45 4.39 -1.40 -3.11 114.58 118.63 2b0h h GLU 1959Ca -0.00 -0.58 -0.10 0.00 0.34 0.00 0.00 59.36 59.02 2b0h h GLU 1959Cb 0.12 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2b0h h GLU 1959CO 0.00 1.20 -0.45 0.87 -1.16 0.00 0.00 179.01 179.47 2b0h h LYS 1960N 0.50 0.01 -0.33 2.33 6.56 -0.96 0.05 116.57 124.73 2b0h h LYS 1960Ca -0.05 -0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.46 2b0h h LYS 1960Cb 1.38 -0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 33.02 2b0h h LYS 1960CO 0.15 0.46 -0.14 -0.39 -2.06 0.00 0.00 179.45 177.48 2b0h h VAL 1961N 0.01 1.24 0.00 0.50 -1.51 -1.29 -0.13 116.25 115.07 2b0h h VAL 1961Ca -0.00 -1.10 -0.12 0.00 -1.23 0.00 0.00 66.70 64.24 2b0h h VAL 1961Cb 0.81 1.14 -0.02 0.00 -2.13 0.00 0.00 31.29 31.09 2b0h h VAL 1961CO 0.06 0.36 -0.59 -1.28 -1.23 0.00 0.00 177.57 174.89 2b0h h SER 1962N 0.53 0.00 -0.39 4.19 0.87 -1.28 -2.44 113.55 115.02 2b0h h SER 1962Ca 0.09 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.54 2b0h h SER 1962Cb 0.55 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 2b0h h SER 1962CO 0.03 0.59 -0.16 0.45 -0.53 0.00 0.00 176.83 177.22 2b0h h HIS 1963N 0.00 0.96 -0.50 2.24 -0.00 0.06 -0.68 115.15 117.23 2b0h h HIS 1963Ca -0.01 -0.20 -0.02 0.00 -0.00 0.00 0.00 60.37 60.15 2b0h h HIS 1963Cb 1.11 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 28.26 2b0h h HIS 1963CO 0.00 0.95 0.24 0.28 -0.00 0.00 0.00 177.93 179.40 2b0h h VAL 1964N 0.76 1.19 -0.50 2.45 2.07 -0.88 0.85 116.25 122.19 2b0h h VAL 1964Ca 0.12 -0.54 0.06 0.00 0.82 0.00 0.00 66.70 67.15 2b0h h VAL 1964Cb 0.68 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 2b0h h VAL 1964CO 0.05 0.21 0.20 -0.07 0.02 0.00 0.00 177.57 177.99 2b0h h LEU 1965N 0.67 0.24 -0.61 2.57 3.38 -0.99 -0.67 115.31 119.89 2b0h h LEU 1965Ca 0.17 0.05 -0.12 0.00 0.09 0.00 0.00 57.88 58.07 2b0h h LEU 1965Cb 0.12 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2b0h h LEU 1965CO -0.02 0.17 -0.56 0.00 0.09 0.00 0.00 178.44 178.12 2b0h h ALA 1966N 1.31 0.85 -0.36 1.53 0.00 -0.94 -1.53 119.26 120.12 2b0h h ALA 1966Ca 0.23 -0.51 -0.17 0.00 0.00 0.00 0.00 54.91 54.47 2b0h h ALA 1966Cb 0.21 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2b0h h ALA 1966CO -0.21 0.70 -0.42 0.00 0.00 0.00 0.00 179.25 179.32 2b0h h ALA 1967N 1.44 0.53 0.09 0.00 0.00 -0.04 -3.17 119.26 118.11 2b0h h ALA 1967Ca -0.01 -0.47 -0.28 0.00 0.00 0.00 0.00 54.91 54.15 2b0h h ALA 1967Cb 1.16 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.86 2b0h h ALA 1967CO 0.07 0.66 -1.19 -0.07 0.00 0.00 0.00 179.25 178.73 2b0h h LEU 1968N 0.73 0.77 -3.05 0.00 -0.00 -1.13 -3.26 115.31 109.36 2b0h h LEU 1968Ca 0.05 -0.70 -0.10 0.00 -0.00 0.00 0.00 57.88 57.12 2b0h h LEU 1968Cb 1.02 -0.24 -0.04 0.00 -0.00 0.00 0.00 40.66 41.39 2b0h h LEU 1968CO 0.10 1.52 0.13 0.00 -0.00 0.00 0.00 178.44 180.19 2b0h n GLN 1969N -3.76 1.25 -3.15 1.13 6.02 -0.58 -4.85 117.38 113.44 2b0h n GLN 1969Ca -0.12 -0.50 -0.19 0.00 -0.01 0.00 0.00 57.00 56.18 2b0h n GLN 1969Cb 0.96 -1.20 0.02 0.00 1.02 0.00 0.00 30.24 31.05 2b0h n GLN 1969CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b0h s ALA 1970N -0.58 4.54 0.00 -1.58 0.00 -1.20 -4.60 121.76 118.34 2b0h s ALA 1970Ca 0.10 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.21 2b0h s ALA 1970Cb 0.08 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.77 2b0h s ALA 1970CO 0.00 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.67 2b0h n GLY 1971N -1.95 1.88 0.11 0.00 0.00 -1.26 -4.86 105.19 99.10 2b0h n GLY 1971Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 2b0h n GLY 1971CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2b0h n ASN 1972N 0.00 1.38 -0.05 1.61 4.13 -1.26 -5.04 115.26 116.03 2b0h n ASN 1972Ca 0.00 0.30 0.01 0.00 1.68 0.00 0.00 54.58 56.57 2b0h n ASN 1972Cb 0.00 -0.36 0.00 0.00 -1.54 0.00 0.00 39.78 37.89 2b0h n ASN 1972CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40